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176519-55-4 | 2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-6-(phenylmethyl)-
CAS No: 176519-55-4 Catalog No: AG0024Q4 MDL No:
Product Description
Catalog Number:
AG0024Q4
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(1-methylethyl)-6-(phenylmethyl)-
CAS Number:
176519-55-4
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
6-benzyl-5-propan-2-yl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C14H16N2O2/c1-9(2)12-11(15-14(18)16-13(12)17)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,15,16,17,18)
InChI Key:
BUBCIHWXUMAYRP-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(Cc2ccccc2)c(c(=O)[nH]1)C(C)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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